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Record 2,  Textual support,  English

Record number: 2, Textual support number: 1 CONT

Computational quantum chemistry has become an invaluable aid to the experimental scientist as well as giving insight into the fundamental nature of atoms and molecules and chemical processes. In the past, theoretical calculations have proved successful in predicting experimental results thus providing theoretical verification and understanding of those results, confirmation of the existence of new materials, aid in the interpretation of complicated results and enabling the carrying out of "experiments" which technology may not yet be capable of achieving. It is now routine for the theoretical chemist to accurately determine such properties as molecular geometries, multipole moments, gas-phase infrared spectra used by scientists for the identification and characterisation of materials.  2, record 2, English, - theoretical%20chemist

Record 2,  Textual support,  French

Record number: 2, Textual support number: 1 CONT

[...] les méthodes "précises" de chimie quantique utilisées de nos jours requièrent des temps de calcul variants, en fonction du nombre N d'électrons présents dans le système, comme N3 au minimum, on voit bien que le chimiste théoricien est à la recherche perpétuelle de moyens informatiques accrus s'il désire effectuer une modélisation de qualité sur des composés présentant un intérêt pour les chimistes expérimentateurs.  3, record 2, French, - chimiste%20th%C3%A9oricien

Record 2,  Textual support,  Spanish